1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentyl]urea

Systemtic Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentyl]urea Openeye Name: [5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-5-oxo-pentyl]urea CAS Name: [5-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-5-oxopentyl]urea IUPAC Name: [5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-5-oxopentyl]urea Traditional Name: [5-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-5-keto-pentyl]urea Formula: C17H26ClN4O2+ MolecularWeight: 353.86694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCCCNC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCCCNC(=O)N

InChI

InChI=1S/C17H25ClN4O2/c18-15-5-3-4-14(12-15)13-21-8-10-22(11-9-21)16(23)6-1-2-7-20-17(19)24/h3-5,12H,1-2,6-11,13H2,(H3,19,20,24)/p+1